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100944-14-7

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Basic Information
CAS No.: 100944-14-7
Name: (1S,4S)-2,5-DIAZABICYCLO[2.2.1]HEPTANE DIHYDROBROMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 100944-14-7 ((1S,4S)-2,5-DIAZABICYCLO[2.2.1]HEPTANE DIHYDROBROMIDE)
Formula: C5H12Br2N2
Molecular Weight: 259.972
Synonyms: 2,5-Diazabicyclo[2.2.1]heptane,dihydrobromide (9CI);2,5-Diazabicyclo[2.2.1]heptane dihydrobromide;
Boiling Point: 261.8 °C at 760 mmHg
Flash Point: 112.1 °C
PSA: 24.06000
LogP: 1.89390
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Specification

The 2,5-Diazabicyclo[2.2.1]heptane,hydrobromide (1:2) has the CAS registry number 100944-14-7. This chemical's molecular formula is C5H12Br2N2 and molecular weight is 259.97. What's more, its systematic name is 2,5-diazabicyclo[2.2.1]heptane dihydrobromide.

Physical properties of 2,5-Diazabicyclo[2.2.1]heptane,hydrobromide (1:2) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 24.06 Å2; (10)Flash Point: 112.1 °C; (11)Enthalpy of Vaporization: 51.57 kJ/mol; (12)Boiling Point: 261.8 °C at 760 mmHg; (13)Vapour Pressure: 0.00765 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br.Br.C1C2CNC1CN2
(2)InChI: InChI=1S/C5H10N2.2BrH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H
(3)InChIKey: ISYQWKOXKGJREA-UHFFFAOYSA-N